Indus NVT | Buffering vapor liquid interface

[anku...@gmail.com]

Hello Sean and Indus group,

Firstly, thank you for creating this platform and sharing the code on github!

I wanted to understand different strategies for running Indus in NVT ensemble, especially on inclusion of a buffering vapor liquid interface / particle excluding field. My specific questions are:

- How large or small or shape of the vapor region should be introduced so that it is commensurate with the probe volume used?

- How to prevent the vapor region from being solvated by the solvent molecules - which ties back to the question of applying particle excluding field. 

Thanks for your time and consideration!

Best regards,

Ankur